dimethyl 2-butan-2-yl-2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butyl]propanedioate

Systemtic Name: dimethyl 2-butan-2-yl-2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butyl]propanedioate Openeye Name: dimethyl 2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butyl]-2-sec-butyl-propanedioate CAS Name: 2-butan-2-yl-2-[(2S)-2-[(4-methoxyphenyl)methylthio]-4-phenylbutyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-butan-2-yl-2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylbutyl]propanedioate Traditional Name: 2-[(2S)-2-(p-anisylthio)-4-phenyl-butyl]-2-sec-butyl-malonic acid dimethyl ester Formula: C27H36O5S MolecularWeight: 472.63674

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(CCC1=CC=CC=C1)SCC2=CC=C(C=C2)OC)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCC(C)C(C[C@H](CCC1=CC=CC=C1)SCC2=CC=C(C=C2)OC)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C27H36O5S/c1-6-20(2)27(25(28)31-4,26(29)32-5)18-24(17-14-21-10-8-7-9-11-21)33-19-22-12-15-23(30-3)16-13-22/h7-13,15-16,20,24H,6,14,17-19H2,1-5H3/t20?,24-/m0/s1